{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002470","ANALYSIS_ID":"AN004030","VERSION":"1","CREATED_ON":"February 10, 2023, 3:10 pm"},

"PROJECT":{"PROJECT_TITLE":"Linking bacterial metabolites to disease-associated microbes to uncover mechanisms of host-microbial interactions in intestinal inflammation","PROJECT_TYPE":"Metabolomic profiling of human fecal and plasma samples and bacterial strains","PROJECT_SUMMARY":"Understanding the role of the gut microbiome in inflammatory and autoimmune diseases requires the identification of microbial molecular effectors and their link to host pathophysiology. Here, we present a framework to identify and characterize novel microbial metabolites in patient samples and to directly link their production to disease-associated microbes. We applied this approach to investigate the spectrum of disease severity and treatment response in ulcerative colitis (UC) using longitudinal metabolite and strain profiles combined with paired plasma profiles.","INSTITUTE":"Broad Institute of MIT and Harvard","LAST_NAME":"Xavier","FIRST_NAME":"Ramnik","ADDRESS":"415 Main Street","EMAIL":"rxavier@broadinstitute.org","PHONE":"6177147080","CONTRIBUTORS":"Melanie Schirmer, Martin Strazar, Julian Avila-Pacheco, Daniel F. Rojas-Tapias, Eric Brown, Emily Temple, Subra Kugathasan, Zach Costliow, Hera Vlamakis, Jeff Hyams, Lee Denson, Clary B. Clish, Ramnik J. Xavier"},

"STUDY":{"STUDY_TITLE":"Linking bacterial metabolites to disease-associated microbes to uncover mechanisms of host-microbial interactions in intestinal inflammation. Human plasma profiling","STUDY_SUMMARY":"Understanding the role of the gut microbiome in inflammatory and autoimmune diseases requires the identification of microbial molecular effectors and their link to host pathophysiology. Here, we present a framework to identify and characterize novel microbial metabolites in patient samples and to directly link their production to disease-associated microbes. We applied this approach to investigate the spectrum of disease severity and treatment response in ulcerative colitis (UC) using longitudinal metabolite and strain profiles combined with paired plasma profiles.","INSTITUTE":"Broad Institute of MIT and Harvard","LAST_NAME":"Xavier","FIRST_NAME":"Ramnik","ADDRESS":"415 Main Street","EMAIL":"rxavier@broadinstitute.org","PHONE":"617717084"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"10022",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"12","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"NA","RAW_FILE_NAME":"0061_XAV_PROTECT2_CN-10022.raw  RAW_FILE_NAME":"0061_XAV_PROTECT2_CP-10022.raw  RAW_FILE_NAME":"0061_XAV_PROTECT2_HP-10022.raw  RAW_FILE_NAME":"0061_XAV_PROTECT2_HN_10022.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10126",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"6","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"Yes","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"4572.73312","RAW_FILE_NAME":"-","RAW_FILE_NAME":"-","RAW_FILE_NAME":"0058_XAV_PROTECT2_HP-10126.raw  RAW_FILE_NAME":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10180",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"10","gender":"M","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"1349.229614","RAW_FILE_NAME":"0062_XAV_PROTECT2_CN-10180.raw  RAW_FILE_NAME":"0062_XAV_PROTECT2_CP-10180.raw  RAW_FILE_NAME":"0062_XAV_PROTECT2_HP-10180.raw  RAW_FILE_NAME":"0062_XAV_PROTECT2_HN_10180.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10263",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"16","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"1960.896965","RAW_FILE_NAME":"0054_XAV_PROTECT2_CN-10263.raw  RAW_FILE_NAME":"0054_XAV_PROTECT2_CP-10263.raw  RAW_FILE_NAME":"0054_XAV_PROTECT2_HP-10263.raw  RAW_FILE_NAME":"0054_XAV_PROTECT2_HN_10263.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10279",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"10","gender":"M","race":"More than one","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"851.1898169","RAW_FILE_NAME":"0053_XAV_PROTECT2_CN-10279.raw  RAW_FILE_NAME":"0053_XAV_PROTECT2_CP-10279.raw  RAW_FILE_NAME":"0053_XAV_PROTECT2_HP-10279.raw  RAW_FILE_NAME":"0053_XAV_PROTECT2_HN_10279.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10458",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"4","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"1323.984537","RAW_FILE_NAME":"0012_XAV_PROTECT2_CN-10458.raw  RAW_FILE_NAME":"0012_XAV_PROTECT2_CP-10458.raw  RAW_FILE_NAME":"0012_XAV_PROTECT2_HP-10458.raw  RAW_FILE_NAME":"0012_XAV_PROTECT2_HN_10458.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10504",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"15","gender":"M","race":"Asian","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"4603.855155","RAW_FILE_NAME":"0066_XAV_PROTECT2_CN-10504.raw  RAW_FILE_NAME":"0066_XAV_PROTECT2_CP-10504.raw  RAW_FILE_NAME":"0066_XAV_PROTECT2_HP-10504.raw  RAW_FILE_NAME":"0066_XAV_PROTECT2_HN_10504.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10811",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"15","gender":"M","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"2683.599816","RAW_FILE_NAME":"0056_XAV_PROTECT2_CN-10811.raw  RAW_FILE_NAME":"0056_XAV_PROTECT2_CP-10811.raw  RAW_FILE_NAME":"0056_XAV_PROTECT2_HP-10811.raw  RAW_FILE_NAME":"0056_XAV_PROTECT2_HN_10811.raw"}
},
{
"Subject ID":"-",
"Sample ID":"11040",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"16","gender":"F","race":"White","INITIAL_TRT_C4":"CS-Oral","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"NA","RAW_FILE_NAME":"-","RAW_FILE_NAME":"0057_XAV_PROTECT2_CP-11040.raw  RAW_FILE_NAME":"0057_XAV_PROTECT2_HP-11040.raw  RAW_FILE_NAME":"-"}
},
{
"Subject ID":"-",
"Sample ID":"11089",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"16","gender":"F","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"1180.438493","RAW_FILE_NAME":"0047_XAV_PROTECT2_CN-11089.raw  RAW_FILE_NAME":"0047_XAV_PROTECT2_CP-11089.raw  RAW_FILE_NAME":"0047_XAV_PROTECT2_HP-11089.raw  RAW_FILE_NAME":"0047_XAV_PROTECT2_HN_11089.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20185",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"6","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"Yes","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"NA","RAW_FILE_NAME":"0011_XAV_PROTECT2_CN-20185.raw  RAW_FILE_NAME":"0011_XAV_PROTECT2_CP-20185.raw  RAW_FILE_NAME":"0011_XAV_PROTECT2_HP-20185.raw  RAW_FILE_NAME":"0011_XAV_PROTECT2_HN_20185.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20522",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"4","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"85.29586912","RAW_FILE_NAME":"0008_XAV_PROTECT2_CN-20522.raw  RAW_FILE_NAME":"0008_XAV_PROTECT2_CP-20522.raw  RAW_FILE_NAME":"0008_XAV_PROTECT2_HP-20522.raw  RAW_FILE_NAME":"0008_XAV_PROTECT2_HN_20522.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20539",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"15","gender":"M","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"267.8984998","RAW_FILE_NAME":"0004_XAV_PROTECT2_CN-20539.raw  RAW_FILE_NAME":"0004_XAV_PROTECT2_CP-20539.raw  RAW_FILE_NAME":"0004_XAV_PROTECT2_HP-20539.raw  RAW_FILE_NAME":"0004_XAV_PROTECT2_HN_20539.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20630",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"16","gender":"F","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"264.1486662","RAW_FILE_NAME":"0024_XAV_PROTECT2_CN-20630.raw  RAW_FILE_NAME":"0024_XAV_PROTECT2_CP-20630.raw  RAW_FILE_NAME":"0024_XAV_PROTECT2_HP-20630.raw  RAW_FILE_NAME":"0024_XAV_PROTECT2_HN_20630.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20653",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"16","gender":"F","race":"White","INITIAL_TRT_C4":"CS-Oral","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"1130.102504","RAW_FILE_NAME":"0027_XAV_PROTECT2_CN-20653.raw  RAW_FILE_NAME":"0027_XAV_PROTECT2_CP-20653.raw  RAW_FILE_NAME":"0027_XAV_PROTECT2_HP-20653.raw  RAW_FILE_NAME":"0027_XAV_PROTECT2_HN_20653.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40014",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"10","gender":"M","race":"More than one","INITIAL_TRT_C4":"5ASA","antibiotics":"Yes","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"3157.241902","RAW_FILE_NAME":"0009_XAV_PROTECT2_CN-40014.raw  RAW_FILE_NAME":"0009_XAV_PROTECT2_CP-40014.raw  RAW_FILE_NAME":"0009_XAV_PROTECT2_HP-40014.raw  RAW_FILE_NAME":"0009_XAV_PROTECT2_HN_40014.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40017",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"12","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"85.34196607","RAW_FILE_NAME":"0021_XAV_PROTECT2_CN-40017.raw  RAW_FILE_NAME":"0021_XAV_PROTECT2_CP-40017.raw  RAW_FILE_NAME":"0021_XAV_PROTECT2_HP-40017.raw  RAW_FILE_NAME":"0021_XAV_PROTECT2_HN_40017.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40066",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"16","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"927.0145432","RAW_FILE_NAME":"0038_XAV_PROTECT2_CN-40066.raw  RAW_FILE_NAME":"0038_XAV_PROTECT2_CP-40066.raw  RAW_FILE_NAME":"0038_XAV_PROTECT2_HP-40066.raw  RAW_FILE_NAME":"0038_XAV_PROTECT2_HN_40066.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40177",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"10","gender":"M","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"370.8685744","RAW_FILE_NAME":"0063_XAV_PROTECT2_CN-40177.raw  RAW_FILE_NAME":"0063_XAV_PROTECT2_CP-40177.raw  RAW_FILE_NAME":"0063_XAV_PROTECT2_HP-40177.raw  RAW_FILE_NAME":"0063_XAV_PROTECT2_HN_40177.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40280",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"15","gender":"M","race":"Asian","INITIAL_TRT_C4":"CS-IV","antibiotics":"Yes","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"2492.758542","RAW_FILE_NAME":"0041_XAV_PROTECT2_CN-40280.raw  RAW_FILE_NAME":"0041_XAV_PROTECT2_CP-40280.raw  RAW_FILE_NAME":"0041_XAV_PROTECT2_HP-40280.raw  RAW_FILE_NAME":"0041_XAV_PROTECT2_HN_40280.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40521",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"4","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"143.2772418","RAW_FILE_NAME":"0005_XAV_PROTECT2_CN-40521.raw  RAW_FILE_NAME":"0005_XAV_PROTECT2_CP-40521.raw  RAW_FILE_NAME":"0005_XAV_PROTECT2_HP-40521.raw  RAW_FILE_NAME":"0005_XAV_PROTECT2_HN_40521.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40593",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"12","gender":"F","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"111.6676861","RAW_FILE_NAME":"0010_XAV_PROTECT2_CN-40593.raw  RAW_FILE_NAME":"0010_XAV_PROTECT2_CP-40593.raw  RAW_FILE_NAME":"0010_XAV_PROTECT2_HP-40593.raw  RAW_FILE_NAME":"0010_XAV_PROTECT2_HN_40593.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40595",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"12","gender":"F","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"1496.14185","RAW_FILE_NAME":"0037_XAV_PROTECT2_CN-40595.raw  RAW_FILE_NAME":"0037_XAV_PROTECT2_CP-40595.raw  RAW_FILE_NAME":"0037_XAV_PROTECT2_HP-40595.raw  RAW_FILE_NAME":"0037_XAV_PROTECT2_HN_40595.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10037",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"16","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"1758.479199","RAW_FILE_NAME":"0064_XAV_PROTECT2_CN-10037.raw  RAW_FILE_NAME":"0064_XAV_PROTECT2_CP-10037.raw  RAW_FILE_NAME":"0064_XAV_PROTECT2_HP-10037.raw  RAW_FILE_NAME":"0064_XAV_PROTECT2_HN_10037.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10603",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"9","gender":"M","race":"White","INITIAL_TRT_C4":"CS-Oral","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"2926.88829","RAW_FILE_NAME":"0030_XAV_PROTECT2_CN-10603.raw  RAW_FILE_NAME":"0030_XAV_PROTECT2_CP-10603.raw  RAW_FILE_NAME":"0030_XAV_PROTECT2_HP-10603.raw  RAW_FILE_NAME":"0030_XAV_PROTECT2_HN_10603.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10705",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"7","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"Colectomy","CALPROTECTIN_WKall":"745.4056701","RAW_FILE_NAME":"0050_XAV_PROTECT2_CN-10705.raw  RAW_FILE_NAME":"0050_XAV_PROTECT2_CP-10705.raw  RAW_FILE_NAME":"0050_XAV_PROTECT2_HP-10705.raw  RAW_FILE_NAME":"0050_XAV_PROTECT2_HN_10705.raw"}
},
{
"Subject ID":"-",
"Sample ID":"11073",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"14","gender":"M","race":"White","INITIAL_TRT_C4":"CS-Oral","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"3928.103073","RAW_FILE_NAME":"0013_XAV_PROTECT2_CN-11073.raw  RAW_FILE_NAME":"0013_XAV_PROTECT2_CP-11073.raw  RAW_FILE_NAME":"0013_XAV_PROTECT2_HP-11073.raw  RAW_FILE_NAME":"0013_XAV_PROTECT2_HN_11073.raw"}
},
{
"Subject ID":"-",
"Sample ID":"11122",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"17","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"2066.385025","RAW_FILE_NAME":"0017_XAV_PROTECT2_CN-11122.raw  RAW_FILE_NAME":"0017_XAV_PROTECT2_CP-11122.raw  RAW_FILE_NAME":"0017_XAV_PROTECT2_HP-11122.raw  RAW_FILE_NAME":"0017_XAV_PROTECT2_HN_11122.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20136",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"16","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"16.9896296","RAW_FILE_NAME":"0018_XAV_PROTECT2_CN-20136.raw  RAW_FILE_NAME":"0018_XAV_PROTECT2_CP-20136.raw  RAW_FILE_NAME":"0018_XAV_PROTECT2_HP-20136.raw  RAW_FILE_NAME":"0018_XAV_PROTECT2_HN_20136.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20292",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"9","gender":"M","race":"White","INITIAL_TRT_C4":"CS-Oral","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"111.8214216","RAW_FILE_NAME":"0031_XAV_PROTECT2_CN-20292.raw  RAW_FILE_NAME":"0031_XAV_PROTECT2_CP-20292.raw  RAW_FILE_NAME":"0031_XAV_PROTECT2_HP-20292.raw  RAW_FILE_NAME":"0031_XAV_PROTECT2_HN_20292.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20378",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"7","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"Colectomy","CALPROTECTIN_WKall":"198.0266986","RAW_FILE_NAME":"0020_XAV_PROTECT2_CN-20378.raw  RAW_FILE_NAME":"0020_XAV_PROTECT2_CP-20378.raw  RAW_FILE_NAME":"0020_XAV_PROTECT2_HP-20378.raw  RAW_FILE_NAME":"0020_XAV_PROTECT2_HN_20378.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20631",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"14","gender":"M","race":"White","INITIAL_TRT_C4":"CS-Oral","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"74.84901995","RAW_FILE_NAME":"0055_XAV_PROTECT2_CN-20631.raw  RAW_FILE_NAME":"0055_XAV_PROTECT2_CP-20631.raw  RAW_FILE_NAME":"0055_XAV_PROTECT2_HP-20631.raw  RAW_FILE_NAME":"0055_XAV_PROTECT2_HN_20631.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20644",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"17","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"236.197835","RAW_FILE_NAME":"0022_XAV_PROTECT2_CN-20644.raw  RAW_FILE_NAME":"0022_XAV_PROTECT2_CP-20644.raw  RAW_FILE_NAME":"0022_XAV_PROTECT2_HP-20644.raw  RAW_FILE_NAME":"0022_XAV_PROTECT2_HN_20644.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40180",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"16","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"184.1935506","RAW_FILE_NAME":"0039_XAV_PROTECT2_CN-40180.raw  RAW_FILE_NAME":"0039_XAV_PROTECT2_CP-40180.raw  RAW_FILE_NAME":"0039_XAV_PROTECT2_HP-40180.raw  RAW_FILE_NAME":"0039_XAV_PROTECT2_HN_40180.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40244",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"9","gender":"M","race":"White","INITIAL_TRT_C4":"CS-Oral","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"1054.148623","RAW_FILE_NAME":"0032_XAV_PROTECT2_CN-40244.raw  RAW_FILE_NAME":"0032_XAV_PROTECT2_CP-40244.raw  RAW_FILE_NAME":"0032_XAV_PROTECT2_HP-40244.raw  RAW_FILE_NAME":"0032_XAV_PROTECT2_HN_40244.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40437",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"7","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"Colectomy","CALPROTECTIN_WKall":"4707.178386","RAW_FILE_NAME":"0040_XAV_PROTECT2_CN-40437.raw  RAW_FILE_NAME":"0040_XAV_PROTECT2_CP-40437.raw  RAW_FILE_NAME":"0040_XAV_PROTECT2_HP-40437.raw  RAW_FILE_NAME":"0040_XAV_PROTECT2_HN_40437.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40691",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"14","gender":"M","race":"White","INITIAL_TRT_C4":"CS-Oral","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"1150.125322","RAW_FILE_NAME":"0026_XAV_PROTECT2_CN-40691.raw  RAW_FILE_NAME":"0026_XAV_PROTECT2_CP-40691.raw  RAW_FILE_NAME":"0026_XAV_PROTECT2_HP-40691.raw  RAW_FILE_NAME":"0026_XAV_PROTECT2_HN_40691.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10405",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"13","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"Yes","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"921.7383008","RAW_FILE_NAME":"0059_XAV_PROTECT2_CN-10405.raw  RAW_FILE_NAME":"0059_XAV_PROTECT2_CP-10405.raw  RAW_FILE_NAME":"0059_XAV_PROTECT2_HP-10405.raw  RAW_FILE_NAME":"0059_XAV_PROTECT2_HN_10405.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10590",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"16","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"NA","RAW_FILE_NAME":"-","RAW_FILE_NAME":"0052_XAV_PROTECT2_CP-10590.raw  RAW_FILE_NAME":"0052_XAV_PROTECT2_HP-10590.raw  RAW_FILE_NAME":"0052_XAV_PROTECT2_HN_10590.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10836",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"17","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"Yes","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"420.7661813","RAW_FILE_NAME":"0051_XAV_PROTECT2_CN-10836.raw  RAW_FILE_NAME":"0051_XAV_PROTECT2_CP-10836.raw  RAW_FILE_NAME":"0051_XAV_PROTECT2_HP-10836.raw  RAW_FILE_NAME":"0051_XAV_PROTECT2_HN_10836.raw"}
},
{
"Subject ID":"-",
"Sample ID":"11041",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"13","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"Yes","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"4481.851944","RAW_FILE_NAME":"0035_XAV_PROTECT2_CN-11041.raw  RAW_FILE_NAME":"0035_XAV_PROTECT2_CP-11041.raw  RAW_FILE_NAME":"0035_XAV_PROTECT2_HP-11041.raw  RAW_FILE_NAME":"0035_XAV_PROTECT2_HN_11041.raw"}
},
{
"Subject ID":"-",
"Sample ID":"11057",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"15","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"5117.066382","RAW_FILE_NAME":"-","RAW_FILE_NAME":"0016_XAV_PROTECT2_CP-11057.raw  RAW_FILE_NAME":"0016_XAV_PROTECT2_HP-11057.raw  RAW_FILE_NAME":"-"}
},
{
"Subject ID":"-",
"Sample ID":"11080",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"15","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"4462.483197","RAW_FILE_NAME":"0002_XAV_PROTECT2_CN-11080.raw  RAW_FILE_NAME":"0002_XAV_PROTECT2_CP-11080.raw  RAW_FILE_NAME":"0002_XAV_PROTECT2_HP-11080.raw  RAW_FILE_NAME":"0002_XAV_PROTECT2_HN_11080.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20184",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"6","gender":"F","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"1209.23396","RAW_FILE_NAME":"0034_XAV_PROTECT2_CN-20184.raw  RAW_FILE_NAME":"0034_XAV_PROTECT2_CP-20184.raw  RAW_FILE_NAME":"0034_XAV_PROTECT2_HP-20184.raw  RAW_FILE_NAME":"0034_XAV_PROTECT2_HN_20184.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20648",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"15","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"2537.564525","RAW_FILE_NAME":"0029_XAV_PROTECT2_CN-20648.raw  RAW_FILE_NAME":"0029_XAV_PROTECT2_CP-20648.raw  RAW_FILE_NAME":"0029_XAV_PROTECT2_HP-20648.raw  RAW_FILE_NAME":"0029_XAV_PROTECT2_HN_20648.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20654",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"13","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"3007.920221","RAW_FILE_NAME":"0023_XAV_PROTECT2_CN-20654.raw  RAW_FILE_NAME":"0023_XAV_PROTECT2_CP-20654.raw  RAW_FILE_NAME":"0023_XAV_PROTECT2_HP-20654.raw  RAW_FILE_NAME":"0023_XAV_PROTECT2_HN_20654.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40229",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"13","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"Yes","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"1002.486494","RAW_FILE_NAME":"0019_XAV_PROTECT2_CN-40229.raw  RAW_FILE_NAME":"0019_XAV_PROTECT2_CP-40229.raw  RAW_FILE_NAME":"0019_XAV_PROTECT2_HP-40229.raw  RAW_FILE_NAME":"0019_XAV_PROTECT2_HN_40229.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40511",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"17","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"Yes","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"495.8730871","RAW_FILE_NAME":"0001_XAV_PROTECT2_CN-40511.raw  RAW_FILE_NAME":"0001_XAV_PROTECT2_CP-40511.raw  RAW_FILE_NAME":"0001_XAV_PROTECT2_HP-40511.raw  RAW_FILE_NAME":"0001_XAV_PROTECT2_HN_40511.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40554",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"16","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"82.38900608","RAW_FILE_NAME":"0036_XAV_PROTECT2_CN-40554.raw  RAW_FILE_NAME":"0036_XAV_PROTECT2_CP-40554.raw  RAW_FILE_NAME":"0036_XAV_PROTECT2_HP-40554.raw  RAW_FILE_NAME":"0036_XAV_PROTECT2_HN_40554.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40555",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"16","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"4475.57405","RAW_FILE_NAME":"0007_XAV_PROTECT2_CN-40555.raw  RAW_FILE_NAME":"0007_XAV_PROTECT2_CP-40555.raw  RAW_FILE_NAME":"0007_XAV_PROTECT2_HP-40555.raw  RAW_FILE_NAME":"0007_XAV_PROTECT2_HN_40555.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40626",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"15","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"91.22837998","RAW_FILE_NAME":"0003_XAV_PROTECT2_CN-40626.raw  RAW_FILE_NAME":"0003_XAV_PROTECT2_CP-40626.raw  RAW_FILE_NAME":"0003_XAV_PROTECT2_HP-40626.raw  RAW_FILE_NAME":"0003_XAV_PROTECT2_HN_40626.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40701",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"15","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"340.6709657","RAW_FILE_NAME":"0028_XAV_PROTECT2_CN-40701.raw  RAW_FILE_NAME":"0028_XAV_PROTECT2_CP-40701.raw  RAW_FILE_NAME":"0028_XAV_PROTECT2_HP-40701.raw  RAW_FILE_NAME":"0028_XAV_PROTECT2_HN_40701.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40716",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"13","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"Yes","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"864.6346061","RAW_FILE_NAME":"0025_XAV_PROTECT2_CN-40716.raw  RAW_FILE_NAME":"0025_XAV_PROTECT2_CP-40716.raw  RAW_FILE_NAME":"0025_XAV_PROTECT2_HP-40716.raw  RAW_FILE_NAME":"0025_XAV_PROTECT2_HN_40716.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10177",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"16","gender":"M","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"219.5961518","RAW_FILE_NAME":"0060_XAV_PROTECT2_CN-10177.raw  RAW_FILE_NAME":"0060_XAV_PROTECT2_CP-10177.raw  RAW_FILE_NAME":"0060_XAV_PROTECT2_HP-10177.raw  RAW_FILE_NAME":"0060_XAV_PROTECT2_HN_10177.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10575",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"13","gender":"F","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"NA","RAW_FILE_NAME":"0015_XAV_PROTECT2_CN-10575.raw  RAW_FILE_NAME":"0015_XAV_PROTECT2_CP-10575.raw  RAW_FILE_NAME":"0015_XAV_PROTECT2_HP-10575.raw  RAW_FILE_NAME":"0015_XAV_PROTECT2_HN_10575.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10762",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"15","gender":"M","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"5970.177084","RAW_FILE_NAME":"0033_XAV_PROTECT2_CN-10762.raw  RAW_FILE_NAME":"0033_XAV_PROTECT2_CP-10762.raw  RAW_FILE_NAME":"0033_XAV_PROTECT2_HP-10762.raw  RAW_FILE_NAME":"0033_XAV_PROTECT2_HN_10762.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10884",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"16","gender":"M","race":"White","INITIAL_TRT_C4":"CS-Oral","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"6029.835374","RAW_FILE_NAME":"0046_XAV_PROTECT2_CN-10884.raw  RAW_FILE_NAME":"0046_XAV_PROTECT2_CP-10884.raw  RAW_FILE_NAME":"0046_XAV_PROTECT2_HP-10884.raw  RAW_FILE_NAME":"0046_XAV_PROTECT2_HN_10884.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10915",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"8","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"1164.397371","RAW_FILE_NAME":"0044_XAV_PROTECT2_CN-10915.raw  RAW_FILE_NAME":"0044_XAV_PROTECT2_CP-10915.raw  RAW_FILE_NAME":"0044_XAV_PROTECT2_HP-10915.raw  RAW_FILE_NAME":"0044_XAV_PROTECT2_HN_10915.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20276",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"13","gender":"F","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"21.56883164","RAW_FILE_NAME":"0014_XAV_PROTECT2_CN-20276.raw  RAW_FILE_NAME":"0014_XAV_PROTECT2_CP-20276.raw  RAW_FILE_NAME":"0014_XAV_PROTECT2_HP-20276.raw  RAW_FILE_NAME":"0014_XAV_PROTECT2_HN_20276.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20461",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"15","gender":"M","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"57.26258119","RAW_FILE_NAME":"0042_XAV_PROTECT2_CN-20461.raw  RAW_FILE_NAME":"0042_XAV_PROTECT2_CP-20461.raw  RAW_FILE_NAME":"0042_XAV_PROTECT2_HP-20461.raw  RAW_FILE_NAME":"0042_XAV_PROTECT2_HN_20461.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40040",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"16","gender":"M","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"1417.38207","RAW_FILE_NAME":"0049_XAV_PROTECT2_CN-40040.raw  RAW_FILE_NAME":"0049_XAV_PROTECT2_CP-40040.raw  RAW_FILE_NAME":"0049_XAV_PROTECT2_HP-40040.raw  RAW_FILE_NAME":"0049_XAV_PROTECT2_HN_40040.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40487",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"15","gender":"M","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"124.3773939","RAW_FILE_NAME":"0048_XAV_PROTECT2_CN-40487.raw  RAW_FILE_NAME":"0048_XAV_PROTECT2_CP-40487.raw  RAW_FILE_NAME":"0048_XAV_PROTECT2_HP-40487.raw  RAW_FILE_NAME":"0048_XAV_PROTECT2_HN_40487.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40539",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"16","gender":"M","race":"White","INITIAL_TRT_C4":"CS-Oral","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"5739.897308","RAW_FILE_NAME":"0045_XAV_PROTECT2_CN-40539.raw  RAW_FILE_NAME":"0045_XAV_PROTECT2_CP-40539.raw  RAW_FILE_NAME":"0045_XAV_PROTECT2_HP-40539.raw  RAW_FILE_NAME":"0045_XAV_PROTECT2_HN_40539.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40571",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"8","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"801.8727263","RAW_FILE_NAME":"0043_XAV_PROTECT2_CN-40571.raw  RAW_FILE_NAME":"0043_XAV_PROTECT2_CP-40571.raw  RAW_FILE_NAME":"0043_XAV_PROTECT2_HP-40571.raw  RAW_FILE_NAME":"0043_XAV_PROTECT2_HN_40571.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10191",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"17","gender":"F","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"NA","RAW_FILE_NAME":"0021_XAV_PROTECT_CN-10191.raw  RAW_FILE_NAME":"0021_XAV_PROTECT_CP-10191.raw  RAW_FILE_NAME":"0021_XAV_PROTECT_HP-10191.raw  RAW_FILE_NAME":"0046_XAV_PROTECT_HN_10191.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10240",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"11","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"4383.88002","RAW_FILE_NAME":"0004_XAV_PROTECT_CN-10240.raw  RAW_FILE_NAME":"0004_XAV_PROTECT_CP-10240.raw  RAW_FILE_NAME":"0004_XAV_PROTECT_HP-10240.raw  RAW_FILE_NAME":"0029_XAV_PROTECT_HN_10240.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10562",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"11","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"Yes","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"1495.368941","RAW_FILE_NAME":"0005_XAV_PROTECT_CN-10562.raw  RAW_FILE_NAME":"0005_XAV_PROTECT_CP-10562.raw  RAW_FILE_NAME":"0005_XAV_PROTECT_HP-10562.raw  RAW_FILE_NAME":"0030_XAV_PROTECT_HN_10562.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10793",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"10","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"3569.895158","RAW_FILE_NAME":"0016_XAV_PROTECT_CN-10793.raw  RAW_FILE_NAME":"0016_XAV_PROTECT_CP-10793.raw  RAW_FILE_NAME":"0016_XAV_PROTECT_HP-10793.raw  RAW_FILE_NAME":"0041_XAV_PROTECT_HN_10793.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10877",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"16","gender":"M","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"NA","RAW_FILE_NAME":"0023_XAV_PROTECT_CN-10877.raw  RAW_FILE_NAME":"0023_XAV_PROTECT_CP-10877.raw  RAW_FILE_NAME":"0023_XAV_PROTECT_HP-10877.raw  RAW_FILE_NAME":"0048_XAV_PROTECT_HN_10877.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10896",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"16","gender":"M","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"2476.520253","RAW_FILE_NAME":"0011_XAV_PROTECT_CN-10896.raw  RAW_FILE_NAME":"0011_XAV_PROTECT_CP-10896.raw  RAW_FILE_NAME":"0011_XAV_PROTECT_HP-10896.raw  RAW_FILE_NAME":"0036_XAV_PROTECT_HN_10896.raw"}
},
{
"Subject ID":"-",
"Sample ID":"10956",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"14","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"3713.158304","RAW_FILE_NAME":"0017_XAV_PROTECT_CN-10956.raw  RAW_FILE_NAME":"0017_XAV_PROTECT_CP-10956.raw  RAW_FILE_NAME":"0017_XAV_PROTECT_HP-10956.raw  RAW_FILE_NAME":"0042_XAV_PROTECT_HN_10956.raw"}
},
{
"Subject ID":"-",
"Sample ID":"11021",
"Factors":{"collectionWeek":"0","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"14","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"Colectomy","CALPROTECTIN_WKall":"795.2404368","RAW_FILE_NAME":"0008_XAV_PROTECT_CN-11021.raw  RAW_FILE_NAME":"0008_XAV_PROTECT_CP-11021.raw  RAW_FILE_NAME":"0008_XAV_PROTECT_HP-11021.raw  RAW_FILE_NAME":"0033_XAV_PROTECT_HN_11021.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20014",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"11","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"Yes","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"66.1068384","RAW_FILE_NAME":"0003_XAV_PROTECT_CN-20014.raw  RAW_FILE_NAME":"0003_XAV_PROTECT_CP-20014.raw  RAW_FILE_NAME":"0003_XAV_PROTECT_HP-20014.raw  RAW_FILE_NAME":"0028_XAV_PROTECT_HN_20014.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20112",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"10","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"1255.2788","RAW_FILE_NAME":"0014_XAV_PROTECT_CN-20112.raw  RAW_FILE_NAME":"0014_XAV_PROTECT_CP-20112.raw  RAW_FILE_NAME":"0014_XAV_PROTECT_HP-20112.raw  RAW_FILE_NAME":"0039_XAV_PROTECT_HN_20112.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20117",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"17","gender":"F","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"40.12085351","RAW_FILE_NAME":"0022_XAV_PROTECT_CN-20117.raw  RAW_FILE_NAME":"0022_XAV_PROTECT_CP-20117.raw  RAW_FILE_NAME":"0022_XAV_PROTECT_HP-20117.raw  RAW_FILE_NAME":"0047_XAV_PROTECT_HN_20117.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20316",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"11","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"68.57271523","RAW_FILE_NAME":"0007_XAV_PROTECT_CN-20316.raw  RAW_FILE_NAME":"0007_XAV_PROTECT_CP-20316.raw  RAW_FILE_NAME":"0007_XAV_PROTECT_HP-20316.raw  RAW_FILE_NAME":"0032_XAV_PROTECT_HN_20316.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20481",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"16","gender":"M","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"2672.0754","RAW_FILE_NAME":"0025_XAV_PROTECT_CN-20481.raw  RAW_FILE_NAME":"0025_XAV_PROTECT_CP-20481.raw  RAW_FILE_NAME":"0025_XAV_PROTECT_HP-20481.raw  RAW_FILE_NAME":"0050_XAV_PROTECT_HN_20481.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20497",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"16","gender":"M","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"84.19246012","RAW_FILE_NAME":"0013_XAV_PROTECT_CN-20497.raw  RAW_FILE_NAME":"0013_XAV_PROTECT_CP-20497.raw  RAW_FILE_NAME":"0013_XAV_PROTECT_HP-20497.raw  RAW_FILE_NAME":"0038_XAV_PROTECT_HN_20497.raw"}
},
{
"Subject ID":"-",
"Sample ID":"20672",
"Factors":{"collectionWeek":"12","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"14","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"50.75575702","RAW_FILE_NAME":"0018_XAV_PROTECT_CN-20672.raw  RAW_FILE_NAME":"0018_XAV_PROTECT_CP-20672.raw  RAW_FILE_NAME":"0018_XAV_PROTECT_HP-20672.raw  RAW_FILE_NAME":"0043_XAV_PROTECT_HN_20672.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40001",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"11","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"237.12606","RAW_FILE_NAME":"0001_XAV_PROTECT_CN-40001.raw  RAW_FILE_NAME":"0001_XAV_PROTECT_CP-40001.raw  RAW_FILE_NAME":"0001_XAV_PROTECT_HP-40001.raw  RAW_FILE_NAME":"0026_XAV_PROTECT_HN_40001.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40455",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"10","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"569.944488","RAW_FILE_NAME":"0015_XAV_PROTECT_CN-40455.raw  RAW_FILE_NAME":"0015_XAV_PROTECT_CP-40455.raw  RAW_FILE_NAME":"0015_XAV_PROTECT_HP-40455.raw  RAW_FILE_NAME":"0040_XAV_PROTECT_HN_40455.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40535",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"16","gender":"M","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"3129.120631","RAW_FILE_NAME":"0024_XAV_PROTECT_CN-40535.raw  RAW_FILE_NAME":"0024_XAV_PROTECT_CP-40535.raw  RAW_FILE_NAME":"0024_XAV_PROTECT_HP-40535.raw  RAW_FILE_NAME":"0049_XAV_PROTECT_HN_40535.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40635",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"14","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"Colectomy","CALPROTECTIN_WKall":"1877.621849","RAW_FILE_NAME":"0010_XAV_PROTECT_CN-40635.raw  RAW_FILE_NAME":"0010_XAV_PROTECT_CP-40635.raw  RAW_FILE_NAME":"0010_XAV_PROTECT_HP-40635.raw  RAW_FILE_NAME":"0035_XAV_PROTECT_HN_40635.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40673",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"16","gender":"M","race":"White","INITIAL_TRT_C4":"5ASA","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"76.83240768","RAW_FILE_NAME":"0012_XAV_PROTECT_CN-40673.raw  RAW_FILE_NAME":"0012_XAV_PROTECT_CP-40673.raw  RAW_FILE_NAME":"0012_XAV_PROTECT_HP-40673.raw  RAW_FILE_NAME":"0037_XAV_PROTECT_HN_40673.raw"}
},
{
"Subject ID":"-",
"Sample ID":"40720",
"Factors":{"collectionWeek":"4","PUCAI_C3_WKall":"mild"},
"Additional sample data":{"age":"14","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"157.2624932","RAW_FILE_NAME":"0019_XAV_PROTECT_CN-40720.raw  RAW_FILE_NAME":"0019_XAV_PROTECT_CP-40720.raw  RAW_FILE_NAME":"0019_XAV_PROTECT_HP-40720.raw  RAW_FILE_NAME":"0044_XAV_PROTECT_HN_40720.raw"}
},
{
"Subject ID":"-",
"Sample ID":"50160",
"Factors":{"collectionWeek":"52","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"11","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"52.06809824","RAW_FILE_NAME":"0002_XAV_PROTECT_CN-50160.raw  RAW_FILE_NAME":"0002_XAV_PROTECT_CP-50160.raw  RAW_FILE_NAME":"0002_XAV_PROTECT_HP-50160.raw  RAW_FILE_NAME":"0027_XAV_PROTECT_HN_50160.raw"}
},
{
"Subject ID":"-",
"Sample ID":"50315",
"Factors":{"collectionWeek":"52","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"11","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"1352.586976","RAW_FILE_NAME":"0006_XAV_PROTECT_CN-50315.raw  RAW_FILE_NAME":"0006_XAV_PROTECT_CP-50315.raw  RAW_FILE_NAME":"0006_XAV_PROTECT_HP-50315.raw  RAW_FILE_NAME":"0031_XAV_PROTECT_HN_50315.raw"}
},
{
"Subject ID":"-",
"Sample ID":"50425",
"Factors":{"collectionWeek":"52","PUCAI_C3_WKall":"moderate/severe"},
"Additional sample data":{"age":"14","gender":"F","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"Colectomy","CALPROTECTIN_WKall":"706.6857684","RAW_FILE_NAME":"0009_XAV_PROTECT_CN-50425.raw  RAW_FILE_NAME":"0009_XAV_PROTECT_CP-50425.raw  RAW_FILE_NAME":"0009_XAV_PROTECT_HP-50425.raw  RAW_FILE_NAME":"0034_XAV_PROTECT_HN_50425.raw"}
},
{
"Subject ID":"-",
"Sample ID":"50520",
"Factors":{"collectionWeek":"52","PUCAI_C3_WKall":"inactive"},
"Additional sample data":{"age":"14","gender":"M","race":"White","INITIAL_TRT_C4":"CS-IV","antibiotics":"No","COLECTOMY_WK52":"No colectomy","CALPROTECTIN_WKall":"196.6421795","RAW_FILE_NAME":"0020_XAV_PROTECT_CN-50520.raw  RAW_FILE_NAME":"0020_XAV_PROTECT_CP-50520.raw  RAW_FILE_NAME":"0020_XAV_PROTECT_HP-50520.raw  RAW_FILE_NAME":"0045_XAV_PROTECT_HN_50520.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Pediatric UC patients (4-17 years of age) were recruited between July 2012 and April 2015 from 29 centers in the USA and Canada and monitored over the course of one year. Patients were treatment-naive at week 0 and received either 5-aminosalicylic acid (mesalamine) or oral/intravenous corticosteroids followed by mesalamine. Up to 4 samples were collected from each patient (week 0, 4, 12 and 52). In addition, metadata and clinical data were collected, including age, gender, ethnicity, treatment, Pediatric Ulcerative Colitis Activity Index (PUCAI), disease progression (colectomy and remission status) and fecal calprotectin (ELISA). Blood samples were collected Monday-Thursday and shipped on the same day (via FedEx overnight) at room temperature for next day delivery and processing by the biorepository. If samples were collected on Friday, blood tubes were stored at the collection site at 4 degrees and then shipped at room temperature on Monday (via FedEx overnight) for next day delivery and processing. Once samples were received by the Emory Biorepository, blood samples were immediately processed using the corresponding blood tube centrifugation guidelines, aliquoted, and stored at -80 degrees. Two types of blood tubes (Becton-Dickinson) were used for collection. One tube was coated with K2EDTA anticoagulant and proprietary protease inhibitor cocktail for stabilization of human plasma proteins at the point of collection. The second tube was also coated with K2EDTA anticoagulant.","SAMPLE_TYPE":"Blood (plasma)"},

"TREATMENT":{"TREATMENT_SUMMARY":"NA"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"LC-MS samples were prepared for four profiling methods from plasma samples as follows: HILIC-pos: Metabolites were extracted by adding 90 μL of 74.9:24.9:0.2 v/v/v acetonitrile/methanol/formic acid containing stable isotope-labeled internal standards (valine-d8, Isotec; and phenylalanine-d8, Cambridge Isotope Laboratories; Andover, MA) to a 10 μL aliquot of plasma. Samples were vortexed and then centrifuged (10 min, 9,000 x g, 4°C) to pellet protein precipitates. Supernatants were transferred to glass autosampler vials containing inserts for LC-MS analysis. C8-pos: Lipids were extracted by adding 190 μL of isopropanol containing 1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine as an internal standard (Avanti Polar Lipids; Alabaster, AL) to a 10 μL aliquot of plasma. Samples were vortexed and then centrifuged (10 min, 9,000 x g, ambient temperature) to pellet protein precipitates. Supernatants were transferred to glass autosampler vials containing inserts for LC-MS analysis. HILIC-neg: Metabolites were extracted by adding 120 μL of 80% methanol containing inosine-15N4, thymine-d4 and glycocholate-d4 internal standards (Cambridge Isotope Laboratories; Andover, MA) to a 30 μL aliquot of plasma. Samples were vortexed and then centrifuged (10 min, 9,000 x g, 4°C) to pellet protein precipitates. Supernatants were transferred to glass autosampler vials containing inserts for LC-MS analysis. C18-neg: Metabolites were extracted by adding 90 μL of methanol containing PGE2-d4 as an internal standard (Cayman Chemical Co.; Ann Arbor, MI) to a 30 μL aliquot of plasma. Samples were vortexed and then centrifuged (10 min, 9,000 x g, 4°C) to pellet protein precipitates. Supernatants were transferred to glass autosampler vials containing inserts for LC-MS analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Shimadzu Nexera X2","COLUMN_NAME":"Waters Acquity BEH C8 (100 x 2.1mm, 1.7um)","SOLVENT_A":"95% water/5% methanol; 10 mM ammonium acetate; 0.1% acetic acid","SOLVENT_B":"100% methanol; 0.1% acetic acid","FLOW_GRADIENT":"The column was eluted at a flow rate of 450 µL/min isocratically for 1 minute at 80% mobile phase A, followed by a linear gradient to 80% mobile-phase B over 2 minutes, a linear gradient to 100% mobile phase B over 7 minutes, and then 3 minutes at 100% mobile-phase B.","FLOW_RATE":"450 µL/min","COLUMN_TEMPERATURE":"40C"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Plus Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Raw data were processed using TraceFinder 3.3 software (Thermo Fisher Scientific; Waltham, MA) and Progenesis QI (Nonlinear Dynamics; Newcastle upon Tyne, UK). Metabolite identities were confirmed using authentic reference standards or reference samples.","MS_RESULTS_FILE":"ST002470_AN004030_Results.txt UNITS:Abundance Has m/z:Yes Has RT:Yes RT units:Minutes"},

"MS_METABOLITE_DATA":{
"Units":"Abundance",

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}

}